SCHEMBL20599405

SCHEMBL20599405

Cc1cn2ccc(B(O)O)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 8/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31528524 0.79 KDM4E (0.36) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL20620676 0.79 TTR (0.33) SMN1; SMN2TP53KDM4EPOLBALDH1A1
SCHEMBL31528637 0.78 MCHR1 (0.34) SMN1; SMN2TP53KDM4EPOLBALDH1A1
SCHEMBL4057291 0.77 HDAC1 (0.50) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL434154 0.76 SMN1; SMN2 (0.61) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL15068590 0.75 CA2 (0.43) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL25023864 0.74 KDM4E (0.72) SMN1; SMN2KDM4EPOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6544490 0.74 SMN1; SMN2 (0.59) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL15004605 0.73 HDAC1 (0.47) HDAC1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL16212792 0.73 TLR9 (0.53) HDAC1SMN1; SMN2TP53KDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709481-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS Amgen Inc. (US) 2026-03-18 EP disclosed
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-12-12 US disclosed
WO-2024233550-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-11-14 WO disclosed
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-11-07 US disclosed
EP-4288426-A1 QUINOXALINE DERIVATIVES AND USES THEREOF Black Diamond Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3644992-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
WO-2022170122-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
EP-3644992-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005587-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005587-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 HDAC1 1722/4885SMN1; SMN2 2621/4885TP53 3680/4885
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS HPGD, ADH1A, ADH5 HDAC1 1130/4885SMN1; SMN2 3142/4885TP53 3193/4885
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF NQO2, NQO1, GLS HDAC1 2627/4885SMN1; SMN2 2569/4885TP53 72/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 HDAC1 1722/4885SMN1; SMN2 2621/4885TP53 3680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.